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Candesartan methyl ester (Standard)

CAT: 0804-HY-W098792RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W098792RSize:1 Each
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CAS Number
139481-69-9
UNSPSC
12352005
Target
Angiotensin Receptor
Related Pathways
GPCR/G Protein
Field of Research
Cardiovascular Disease
Smiles
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC
Molecular Formula
C25H22N6O3
Molecular Weight
454.48
References & Citations
[1]Kohara Y, et al., Synthesis and angiotensin II receptor antagonistic activities of benzimidazole derivatives bearing acidic heterocycles as novel tetrazole bioisosteres. J Med Chem. 1996 Dec 20;39 (26) :5228-35.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Methyl candesartan
CAS Number139481-69-9
PubChem CID15654696
IUPAC Namemethyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
Molecular FormulaC25H22N6O3
Molecular Weight454.5
XLogP4.4
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity675
SMILES
CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC
InChI
InChI=1S/C25H22N6O3/c1-3-34-25-26-21-10-6-9-20(24(32)33-2)22(21)31(25)15-16-11-13-17(14-12-16)18-7-4-5-8-19(18)23-27-29-30-28-23/h4-14H,3,15H2,1-2H3,(H,27,28,29,30)
InChIKey
RBPFEPGTRLLUKI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl candesartan
CAS: 139481-69-9
CID: 15654696
Formula: C25H22N6O3
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass454.17533859
Monoisotopic Mass454.17533859
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge0
Complexity675
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
267856-01Candesartan methyl ester
005555Candesartan-d4 Methyl Ester
sc-217826Candesartan Methyl Ester-d5
TRC-D282050-100MGO-Desetheyl Candesartan Methyl Ester
RM-C192018-01Candesartan Methyl Ester Desethyl Analog
443850-01Candesartan Acyl-glucuronide Methyl Ester
MBS6092059-01N-Trityl Candesartan Methyl Ester-d4
sc-219262N-Trityl Candesartan Methyl Ester-d5
RM-C192027-01Candesartan Methyl Ester N1-Trityl Analog
RM-C192034-01Candesartan Methyl Ester N2-Trityl Analog

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